Geometry & MOs

Info

ID:	282256
PubChem CID:	103920162
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-118.98
Dipole, Da:	4.16
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=CC2=C(C=C1)SCC(=O)N2

DOS

IR

Vibrations